Dataset Continuity Phase 1

Driver	Jennifer A Clark
Approver	Lily Wang
Contributors
Other stakeholders	OpenFF forcefield and benchmark dataset users
Objective	Establish pipeline for copying datasets from MolSSI resources to Zenodo and apply pipeline to datasets used to train forcefields and benchmarking datasets.
Time frame	12/01/2024 - 12/01/2025
Key outcomes	Publish datasets used in forcefield fitting and benchmarking on Zenodo in a future proof format
Key metrics	Produce Zenodo publication for 3 sage forcefields and at least 1 benchmarking dataset.
Status	IN PROGRESS
GitHub repo
Slack channel	https://openforcefieldgroup.slack.com/archives/CJQ4DCWN8
Designated meeting	QCSubmit discussion
Released datasets
Publication

\uD83E\uDD14 Problem Statement and Objective

Must have:	Produce continuity standard operating procedure for transferring a dataset from a QCA-Dataset-Submission reference to MolSSI files to the publication of a dataset on Zenodo in a future proof format. Publish datasets for previous OpenFF forcefields using continuity SOP Publish benchmarking datasets using continuity SOP
Nice to have:	Automated pipeline for continuity SOP
Not in scope:	Dataset sourced and maintained by teams other than OpenFF